SCHEMBL1147347

SCHEMBL1147347

CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(CC)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
ALDH1A1 P00352 3/20 0.52
HSD11B1 P28845 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
DDIT3 P35638 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12874959 0.96 SCN3A (0.51) TP53ALDH1A1HSD11B1LMNAMAPT
SCHEMBL1147507 0.95 MEN1 (0.53) TP53ALDH1A1LMNAMEN1KMT2A
SCHEMBL1147319 0.94 MEN1 (0.54) ALDH1A1HSD11B1LMNAMAPTMEN1
SCHEMBL1147481 0.92 CA12 (0.51) TP53ALDH1A1HSD11B1LMNAPOLB
SCHEMBL1147229 0.92 KDM4E (0.55) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL1147277 0.90 EPHX2 (0.53) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1147371 0.88 NAMPT (0.55) TP53ALDH1A1LMNAMAPTPOLB
SCHEMBL1147356 0.85 MEN1 (0.48) TP53ALDH1A1LMNAMAPTPOLB
SCHEMBL11888853 0.85 ALDH1A1 (0.60) ALDH1A1HSD11B1LMNAL3MBTL1SMN1; SMN2
SCHEMBL1147213 0.84 KMT2A (0.57) TP53ALDH1A1LMNAMAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 TP53 1927/4885ALDH1A1 45/4885HSD11B1 3837/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.